1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[4-(4-bromophenyl)thiazol-2-yl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[4-(4-bromophenyl)-2-thiazolyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[4-(4-bromophenyl)thiazol-2-yl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C20H26BrN4OS+ MolecularWeight: 450.41564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C3=NC(=CS3)C4=CC=C(C=C4)Br)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C3=NC(=CS3)C4=CC=C(C=C4)Br)C(=O)N

InChI

InChI=1S/C20H25BrN4OS/c21-16-6-4-15(5-7-16)17-14-27-19(23-17)24-12-8-20(9-13-24,18(22)26)25-10-2-1-3-11-25/h4-7,14H,1-3,8-13H2,(H2,22,26)/p+1